Vitas-M small molecule compound
(4E)-4-[3-iodo-5-methoxy-4-(propan-2-yloxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK066529
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OC(C)C)I
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H21IN2O3 MW 476.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21IN2O3/c1-13(2)27-20-18(22)11-15(12-19(20)26-4)10-17-14(3)23-24(21(17)25)16-8-6-5-7-9-16/h5-13H,1-4H3/b17-10+InChIKey
CRBUGWIIVUZGSN-LICLKQGHSA-NSynonyms
(4E)4((3IODO5METHOXY4PROPAN2YLOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3IODO5METHOXY4(PROPAN2YLOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OC(C)C)OC)C3=CC=CC=C3
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OC(C)C)I
InChI=1SC21H21IN2O3c113(2)272018(22)1115(1219(20)264)101714(3)2324(21(17)25)168657916h513H14H3b1710+
MFCD04515572
STK066529
ZINC000100233112
ZINC100233112
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